Combining a QSAR Approach and Structural Analysis to Derive an SAR Map of Lyn Kinase Inhibition.

ABSTRACT: Lyn kinase, a member of the Src family of protein tyrosine kinases, is mainly expressed by various hematopoietic cells, neural and adipose tissues. Abnormal Lyn kinase regulation causes various diseases such as cancers. Thus, Lyn represents, a potential target to develop new antitumor drugs. In the present study, using 176 molecules (123 training set molecules and 53 test set molecules) known by their inhibitory activities (IC₅₀) against Lyn kinase, we constructed predictive models by linking their physico-chemical parameters (descriptors) to their biological activity. The models were derived using two different methods: the generalized linear model (GLM) and the artificial neural network (ANN). The ANN Model provided the best prediction precisions with a Square Correlation coef

SUBMITTER: Naboulsi I 

PROVIDER: S-EPMC6320833 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature